CID 73657190

Foeniculoside v

Structural Information

Molecular Formula
C16H28O8
SMILES
CC1(C2(CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C
InChI
InChI=1S/C16H28O8/c1-14(2)16(21)5-4-15(3,24-14)9(6-16)23-13-12(20)11(19)10(18)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3
InChIKey
KTPRFNBCDRCCJW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1784 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18568 174.7
[M+Na]+ 371.16762 180.5
[M+NH4]+ 366.21222 184.6
[M+K]+ 387.14156 173.3
[M-H]- 347.17112 172.5
[M+Na-2H]- 369.15307 170.7
[M]+ 348.17785 175.0
[M]- 348.17895 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.